ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane

C25H39PSi — CID 15773777

IUPACethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
SMILESC#CP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H39PSi/c1-14-26(15-16-27(11,12)13)22-20(24(5,6)7)17-19(23(2,3)4)18-21(22)25(8,9)10/h1,17-18H,2-13H3
InChIKeyJQTMXZARALHVFM-UHFFFAOYSA-N
MW398.65 g/mol
LogP7.12
Rot. Bonds1

About ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane

ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane (PubChem CID 15773777) has the molecular formula C25H39PSi and a molecular weight of 398.65 g/mol. Its IUPAC name is ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane.

Molecular Properties

Compound Nameethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
PubChem CID15773777
Molecular FormulaC25H39PSi
Molecular Weight398.65 g/mol
Exact Mass398.26
IUPAC Nameethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
SMILESC#CP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H39PSi/c1-14-26(15-16-27(11,12)13)22-20(24(5,6)7)17-19(23(2,3)4)18-21(22)25(8,9)10/h1,17-18H,2-13H3
InChIKeyJQTMXZARALHVFM-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.65
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773778
(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[2-tri(propan-2-yl)silylethynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]-[2-tri(propan-2-yl)silylethynyl]phosphane
CID 101076527
1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 102522485
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
CID 14494179
2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050031
1,2,3,5-tetratert-butylbenzene
CID 18679123
N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
CID 134932690
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
trimethyl-[2-(11,20,25,34,39-pentatert-butyl-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39-henicosaenyl)ethynyl]silane
CID 45277154
chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane
CID 134879567
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
CID 102078481

Frequently Asked Questions

What is the IUPAC name of ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The IUPAC name of ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane (CID 15773777) is ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane.
What is the SMILES notation for ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The canonical SMILES for ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane is C#CP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The InChIKey is JQTMXZARALHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39PSi/c1-14-26(15-16-27(11,12)13)22-20(24(5,6)7)17-19(23(2,3)4)18-21(22)25(8,9)10/h1,17-18H,2-13H3.
What are the key properties of ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane has a molecular weight of 398.65 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane is sourced from PubChem (CID 15773777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).